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3-Pentyl-5-phenylisothiazole

View entire compound with spectra: 1 MS (GC)

3-Pentyl-5-phenylisothiazole
SpectraBase Compound ID EyrsqTWomO5
InChI InChI=1S/C14H17NS/c1-2-3-5-10-13-11-14(16-15-13)12-8-6-4-7-9-12/h4,6-9,11H,2-3,5,10H2,1H3
InChIKey ZSJNPWVHGQVVIF-UHFFFAOYSA-N
Mol Weight 231.36 g/mol
Molecular Formula C14H17NS
Exact Mass 231.108171 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GKBKu02Odpb
Name 3-Pentyl-5-phenylisothiazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H17NS
InChI InChI=1S/C14H17NS/c1-2-3-5-10-13-11-14(16-15-13)12-8-6-4-7-9-12/h4,6-9,11H,2-3,5,10H2,1H3
InChIKey ZSJNPWVHGQVVIF-UHFFFAOYSA-N
Molecular Weight 231.357 g/mol
SMILES c1(snc(c1)CCCCC)-c1ccccc1
SPLASH splash10-004i-0910000000-998879abccbfaf8033a7
Source of Spectrum Y-32-541-25
Synonyms 3-Amyl-5-phenyl-isothiazole 3-Pentyl-5-phenyl-1,2-thiazole
Wiley ID 1232971